hello:
I've installed Amber 12 with two GTX590 GPU in my Linux X64 OS. It
goes well for GNU+MPICH2. However, when I compiled it with intel
icc+ifort, MPI works fine but GPU doesn't work. I did some test by running
test_amber_cuda.sh
here is the log file
-------------------test_amber_cuda.sh-----------log----------
cd cuda && make -k test.pmemd.cuda PREC_MODEL=SPDP
make[1]: Entering directory `/opt/amber12/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
Precision Model = SPDP
------------------------------------
cd gb_ala3/ && ./Run.igb1_ntc1_min SPDP /opt/amber12/include/netcdf.mod
cudaGetDevicePointer GpuBuffer::failed to get device pointer invalid
argument
./Run.igb1_ntc1_min: Program error
make[1]: *** [test.pmemd.cuda.gb.serial] Error 1
---------------------------------------------
Running Extended CUDA Implicit solvent tests.
Precision Model = SPDP
---------------------------------------------
cd trpcage/ && ./Run_md_trpcage SPDP /opt/amber12/include/netcdf.mod
cudaGetDevicePointer GpuBuffer::failed to get device pointer invalid
argument
./Run_md_trpcage: Program error
make[1]: *** [test.pmemd.cuda.gb] Error 1
---------------------------------------------
Running Extended CUDA Explicit solvent tests.
Precision Model = SPDP
---------------------------------------------
cd 4096wat/ && ./Run.pure_wat SPDP /opt/amber12/include/netcdf.mod
forrtl: severe (71): integer divide by zero
Image PC Routine Line Source
pmemd.cuda_SPDP 000000000052238D Unknown Unknown Unknown
pmemd.cuda_SPDP 0000000000522A32 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004FDCDE Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004CE720 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004AB546 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004041DC Unknown Unknown Unknown
libc.so.6 00002AEF44A33BFD Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004040D9 Unknown Unknown Unknown
./Run.pure_wat: Program error
make[1]: *** [test.pmemd.cuda.pme] Error 1
------------------------------------
Running CUDA Explicit solvent tests.
Precision Model = SPDP
------------------------------------
cd 4096wat/ && ./Run.vrand SPDP /opt/amber12/include/netcdf.mod
forrtl: severe (71): integer divide by zero
Image PC Routine Line Source
pmemd.cuda_SPDP 000000000052238D Unknown Unknown Unknown
pmemd.cuda_SPDP 0000000000522A32 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004FDCDE Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004CE720 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004AB546 Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004041DC Unknown Unknown Unknown
libc.so.6 00002AC6D69D2BFD Unknown Unknown Unknown
pmemd.cuda_SPDP 00000000004040D9 Unknown Unknown Unknown
./Run.vrand: Program error
make[1]: *** [test.pmemd.cuda.pme.serial] Error 1
make[1]: Target `test.pmemd.cuda' not remade because of errors.
make[1]: Leaving directory `/opt/amber12/test/cuda'
make: *** [test.pmemd.cuda] Error 2
make: Target `test.serial.cuda' not remade because of errors.
0 file comparisons passed
0 file comparisons failed
11 tests experienced errors
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Received on Tue May 08 2012 - 00:00:03 PDT
